[(2S)-2-aminopropanoyl] undecanoate

C14H27NO3 — CID 90134834

IUPAC[(2S)-2-aminopropanoyl] undecanoate
SMILESCCCCCCCCCCC(=O)OC(=O)[C@H](C)N
InChIInChI=1S/C14H27NO3/c1-3-4-5-6-7-8-9-10-11-13(16)18-14(17)12(2)15/h12H,3-11,15H2,1-2H3/t12-/m0/s1
InChIKeyVIWZMEBUSBSMMN-LBPRGKRZSA-N
MW257.37 g/mol
LogP2.93
Rot. Bonds10

About [(2S)-2-aminopropanoyl] undecanoate

[(2S)-2-aminopropanoyl] undecanoate (PubChem CID 90134834) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [(2S)-2-aminopropanoyl] undecanoate.

Molecular Properties

Compound Name[(2S)-2-aminopropanoyl] undecanoate
PubChem CID90134834
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[(2S)-2-aminopropanoyl] undecanoate
SMILESCCCCCCCCCCC(=O)OC(=O)[C@H](C)N
InChIInChI=1S/C14H27NO3/c1-3-4-5-6-7-8-9-10-11-13(16)18-14(17)12(2)15/h12H,3-11,15H2,1-2H3/t12-/m0/s1
InChIKeyVIWZMEBUSBSMMN-LBPRGKRZSA-N
XLogP2.93
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [(2S)-2-aminopropanoyl] undecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 175702847
CID 175702847
2-hydroxypropanoyl dodecanoate;zinc
CID 174374656
CID 172741871
CID 172741871
2-hydroxypropanoyl octadecanoate;hydrate
CID 172849458
CID 87243127
CID 87243127
CID 172853270
CID 172853270
cesium 1-octadecanoyloxy-1-oxopropan-2-olate
CID 23662803
2-amino-3-dodecanoyloxy-3-oxopropanoic acid
CID 135353047
dioctadecanoyl (2S)-2-aminopentanedioate
CID 57221683
henicosanoyl docosanoate
CID 175302110
ditetradecanoyl hexanedioate
CID 175560209
pentadecanoyl hexadecanoate
CID 87499774

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-aminopropanoyl] undecanoate?
The IUPAC name of [(2S)-2-aminopropanoyl] undecanoate (CID 90134834) is [(2S)-2-aminopropanoyl] undecanoate.
What is the SMILES notation for [(2S)-2-aminopropanoyl] undecanoate?
The canonical SMILES for [(2S)-2-aminopropanoyl] undecanoate is CCCCCCCCCCC(=O)OC(=O)[C@H](C)N.
What is the InChIKey of [(2S)-2-aminopropanoyl] undecanoate?
The InChIKey is VIWZMEBUSBSMMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-4-5-6-7-8-9-10-11-13(16)18-14(17)12(2)15/h12H,3-11,15H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2S)-2-aminopropanoyl] undecanoate?
[(2S)-2-aminopropanoyl] undecanoate has a molecular weight of 257.37 g/mol, XLogP of 2.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-aminopropanoyl] undecanoate is sourced from PubChem (CID 90134834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).